Sample simulation files for 'New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves'

doi:10.4121/19738834.v1
The doi above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
doi: 10.4121/19738834
Datacite citation style:
Mert Polat; Vlugt, Thijs; Othonas A. Moultos; Hirad Seyed Salehi; Remco Hens et. al. (2022): Sample simulation files for 'New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves'. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/19738834.v1
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite
Dataset

This dataset contains sample simulation input files to run Monte Carlo simulations of solutions of NaCl in water and a deep eutectic solvent. 

history
  • 2022-05-12 first online, published, posted
publisher
4TU.ResearchData
format
txt
organizations
TU Delft, Faculty of Mechanical, Maritime and Materials Engineering, Department of Process and Energy;
Mines ParisTech;
TotalEnergies S.E.

DATA

files (1)